[4-[(E)-3-(diphenylmethyl)oxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate

Systemtic Name: [4-[(E)-3-(diphenylmethyl)oxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: [4-[(E)-3-benzhydryloxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid [4-[(E)-3-(diphenylmethyl)oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-benzhydryloxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid [4-[(E)-3-benzhydryloxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C32H35N3O5 MolecularWeight: 541.6374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CCC4CCN(CC4)C(=N)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C32H35N3O5/c1-38-28-22-24(12-15-27(28)39-29(36)16-13-23-18-20-35(21-19-23)32(33)34)14-17-30(37)40-31(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-12,14-15,17,22-23,31H,13,16,18-21H2,1H3,(H3,33,34)/b17-14+